N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide

C21H28N2O2 — CID 71930187

IUPACN-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)NC1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C21H28N2O2/c1-13-5-2-3-8-17(13)18-12-19(18)21(25)23-16-7-4-6-14(11-16)20(24)22-15-9-10-15/h2-3,5,8,14-16,18-19H,4,6-7,9-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyGOHPXJGBTMPAFP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.05
Rot. Bonds5

About N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide

N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide (PubChem CID 71930187) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
PubChem CID71930187
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)NC1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C21H28N2O2/c1-13-5-2-3-8-17(13)18-12-19(18)21(25)23-16-7-4-6-14(11-16)20(24)22-15-9-10-15/h2-3,5,8,14-16,18-19H,4,6-7,9-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyGOHPXJGBTMPAFP-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 167824410
trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124779575
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 100873540
trans-(1R,3R)-N-cyclopropyl-3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 124739605
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119611682
3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 42828595
trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide
CID 97214268
2-cyclopropyl-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 75483394
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
2-N-cyclopentyl-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132069

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide (CID 71930187) is N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide is Cc1ccccc1C1CC1C(=O)NC1CCCC(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The InChIKey is GOHPXJGBTMPAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-13-5-2-3-8-17(13)18-12-19(18)21(25)23-16-7-4-6-14(11-16)20(24)22-15-9-10-15/h2-3,5,8,14-16,18-19H,4,6-7,9-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 71930187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).